General Information of the Compound
| Compound ID |
CP0169217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N5OS
|
||||||||||||||||||
| Molecular Weight |
483.641
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N5OS/c34-28(22-4-3-12-29-19-22)30-25-10-8-21-18-20(7-9-23(21)25)11-13-32-14-16-33(17-15-32)27-24-5-1-2-6-26(24)35-31-27/h1-7,9,12,18-19,25H,8,10-11,13-17H2,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GFQPGTMHAHWZHS-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2